1-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-3-propan-2-yl-thiourea Openeye Name: 1-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]-3-isopropyl-thiourea CAS Name: 1-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]-3-propan-2-ylthiourea IUPAC Name: 1-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-propan-2-ylthiourea Traditional Name: 1-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]-3-isopropyl-thiourea Formula: C17H28N4O2S2 MolecularWeight: 384.55982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N(C)C

Isomeric SMILES

CC(C)NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N(C)C

InChI

InChI=1S/C17H28N4O2S2/c1-13(2)18-17(24)19-15-12-14(8-9-16(15)20(3)4)25(22,23)21-10-6-5-7-11-21/h8-9,12-13H,5-7,10-11H2,1-4H3,(H2,18,19,24)